CID 487077

1-[2-(1-naphthylmethoxy)-2-(p-tolyl)ethyl]imidazole

Structural Information

Molecular Formula
C23H22N2O
SMILES
CC1=CC=C(C=C1)C(CN2C=CN=C2)OCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H22N2O/c1-18-9-11-20(12-10-18)23(15-25-14-13-24-17-25)26-16-21-7-4-6-19-5-2-3-8-22(19)21/h2-14,17,23H,15-16H2,1H3
InChIKey
MRHIPJXGGGTRFJ-UHFFFAOYSA-N
Compound name
1-[2-(4-methylphenyl)-2-(naphthalen-1-ylmethoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.17322 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18050 183.9
[M+Na]+ 365.16244 191.4
[M-H]- 341.16594 191.7
[M+NH4]+ 360.20704 196.5
[M+K]+ 381.13638 184.6
[M+H-H2O]+ 325.17048 172.8
[M+HCOO]- 387.17142 204.7
[M+CH3COO]- 401.18707 194.2
[M+Na-2H]- 363.14789 187.7
[M]+ 342.17267 186.5
[M]- 342.17377 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.